Tert-butyl methoxyacetate

Base Information

• Chemical Name: Tert-butyl methoxyacetate
• CAS No.: 17640-23-2
• Molecular Formula: C7H14O3
• Molecular Weight: 146.186
• DSSTox Substance ID: DTXSID60557500
• Nikkaji Number: J1.491.060C
• Wikidata: Q82439441
• Mol file: 17640-23-2.mol

Synonyms:TERT-BUTYL 2-METHOXYACETATE;17640-23-2;tert-butyl methoxyacetate;SCHEMBL494582;DTXSID60557500;TERT-BUTYL2-METHOXYACETATE;AKOS013211842;G62585

Chemical Property of Tert-butyl methoxyacetate

Chemical Property:

• Vapor Pressure: 1.12mmHg at 25°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)COC

Technology Process of Tert-butyl methoxyacetate

There total 4 articles about Tert-butyl methoxyacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

methanol (67-56-1) + t-butyl diazoacetate (35059-50-8) → 2-methoxyacetic acid 1,1-dimethylethyl ester (17640-23-2)

Guidance literature:

With [(palladium₎₄]_0.5 supported Na_3[nickel(II)₄[(copper(II))₂₍N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate))₂]]*56H₂O; In toluene; at 80 ℃;

DOI:10.1038/nmat4910

Reference yield: 55.0%

acetic acid tert-butyl ester (540-88-5) + methyl methoxyacetate (6290-49-9) → 2-methoxyacetic acid 1,1-dimethylethyl ester (17640-23-2)

Guidance literature:

With sodium 4-tert-butylphenolate; sodium t-butanolate; In tetrahydrofuran; for 6h; under 40 - 50 Torr;

DOI:10.1021/ol0067585

Reference yield: 55.0%

2-methoxyacetic acid (625-45-6) + isobutene (115-11-7,15220-85-6) → 2-methoxyacetic acid 1,1-dimethylethyl ester (17640-23-2)

Guidance literature:

sulfuric acid;

DOI:10.1021/ja0124764

upstream raw materials:

Methoxyacetyl chloride

tert-butyl alcohol

2-methoxyacetic acid

isobutene

Downstream raw materials:

tert-butyl glyoxylate

3-[(1R,2S,6S,7R)-7-(1-Benzyloxymethyl-vinyl)-2-methyl-bicyclo[4.1.0]hept-3-en-1-yl]-2-methoxy-3-oxo-propionic acid tert-butyl ester